SCHEMBL3884461

SCHEMBL3884461

NCC1(O)CCN(CCCOCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.54
LTA4H P09960 1/20 0.50
HRH3 Q9Y5N1 2/20 0.47
SIGMAR1 Q99720 4/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TMEM97 Q5BJF2 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3885526 0.95 LTA4H (0.56) TEAD3LTA4HSIGMAR1MEN1GAA
SCHEMBL29284779 0.82 TEAD3 (0.54) TEAD3LTA4HHRH3SIGMAR1MEN1
SCHEMBL10513153 0.79 SLC6A3 (0.56) SIGMAR1
SCHEMBL3887322 0.78 ALDH1A1 (0.60) HRH3MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL22440218 0.78 LTA4H (0.77) TEAD3LTA4HHRH3SIGMAR1NPC1
SCHEMBL14451359 0.77 DPP4 (0.42) KDM4ELMNAHTT
SCHEMBL6942319 0.76 TEAD3 (0.56) TEAD3LTA4HHRH3SIGMAR1KDM4E
SCHEMBL27755847 0.76 LTA4H (0.39) TEAD3LTA4HMEN1GAAKMT2A
SCHEMBL7395255 0.76 TEAD3 (0.59) TEAD3LTA4HHRH3SIGMAR1MEN1
Hydrochloric Acid SCHEMBL5515565 0.76 DPP4 (0.41) KDM4ELMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A TEAD3 1129/4885LTA4H 470/4885HRH3 21/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.